N,N'-bis(2-methylphenyl)-2-(2-methylpropyl)pentanediamide

C23H30N2O2 — CID 154750234

IUPACN,N'-bis(2-methylphenyl)-2-(2-methylpropyl)pentanediamide
SMILESCc1ccccc1NC(=O)CCC(CC(C)C)C(=O)Nc1ccccc1C
InChIInChI=1S/C23H30N2O2/c1-16(2)15-19(23(27)25-21-12-8-6-10-18(21)4)13-14-22(26)24-20-11-7-5-9-17(20)3/h5-12,16,19H,13-15H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyQFIIZLOJQPFPMF-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.32
Rot. Bonds8

About N,N'-bis(2-methylphenyl)-2-(2-methylpropyl)pentanediamide

N,N'-bis(2-methylphenyl)-2-(2-methylpropyl)pentanediamide (PubChem CID 154750234) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N,N'-bis(2-methylphenyl)-2-(2-methylpropyl)pentanediamide.

Molecular Properties

Compound NameN,N'-bis(2-methylphenyl)-2-(2-methylpropyl)pentanediamide
PubChem CID154750234
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN,N'-bis(2-methylphenyl)-2-(2-methylpropyl)pentanediamide
SMILESCc1ccccc1NC(=O)CCC(CC(C)C)C(=O)Nc1ccccc1C
InChIInChI=1S/C23H30N2O2/c1-16(2)15-19(23(27)25-21-12-8-6-10-18(21)4)13-14-22(26)24-20-11-7-5-9-17(20)3/h5-12,16,19H,13-15H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyQFIIZLOJQPFPMF-UHFFFAOYSA-N
XLogP5.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-(2-methylphenyl)pentanamide
CID 79017195
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride
CID 119670479
2-ethyl-N-(2-hydroxyphenyl)-4-methylpentanamide
CID 135170128
2-chloro-N-(2-methylphenyl)propanamide
CID 3858908
2-(2-aminoethyl)-N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 112516992
3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methylphenyl)propanamide
CID 113141163
3-(dimethylamino)-N-(2-methylphenyl)propanamide
CID 89469008
N-(2-methylphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 42069296
3-[1-(2-methylanilino)-1-oxopropan-2-yl]sulfinylpropanoic acid
CID 123114275
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
N-(2-methylphenyl)-3-oxobutanamide
CID 7154

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-methylphenyl)-2-(2-methylpropyl)pentanediamide?
The IUPAC name of N,N'-bis(2-methylphenyl)-2-(2-methylpropyl)pentanediamide (CID 154750234) is N,N'-bis(2-methylphenyl)-2-(2-methylpropyl)pentanediamide.
What is the SMILES notation for N,N'-bis(2-methylphenyl)-2-(2-methylpropyl)pentanediamide?
The canonical SMILES for N,N'-bis(2-methylphenyl)-2-(2-methylpropyl)pentanediamide is Cc1ccccc1NC(=O)CCC(CC(C)C)C(=O)Nc1ccccc1C.
What is the InChIKey of N,N'-bis(2-methylphenyl)-2-(2-methylpropyl)pentanediamide?
The InChIKey is QFIIZLOJQPFPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-16(2)15-19(23(27)25-21-12-8-6-10-18(21)4)13-14-22(26)24-20-11-7-5-9-17(20)3/h5-12,16,19H,13-15H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N,N'-bis(2-methylphenyl)-2-(2-methylpropyl)pentanediamide?
N,N'-bis(2-methylphenyl)-2-(2-methylpropyl)pentanediamide has a molecular weight of 366.51 g/mol, XLogP of 5.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-methylphenyl)-2-(2-methylpropyl)pentanediamide is sourced from PubChem (CID 154750234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).